De novo determination of near-surface electrostatic potentials by NMR
نویسندگان
چکیده
منابع مشابه
De novo protein structure determination using sparse NMR data.
We describe a method for generating moderate to high-resolution protein structures using limited NMR data combined with the ab initio protein structure prediction method Rosetta. Peptide fragments are selected from proteins of known structure based on sequence similarity and consistency with chemical shift and NOE data. Models are built from these fragments by minimizing an energy function that...
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The three-dimensional structure of the chemotactic peptide N-formyl-l-Met-l-Leu-l-Phe-OH was determined by using solid-state NMR (SSNMR). The set of SSNMR data consisted of 16 (13)C-(15)N distances and 18 torsion angle constraints (on 10 angles), recorded from uniformly (13)C,(15)N- and (15)N-labeled samples. The peptide's structure was calculated by means of simulated annealing and a newly dev...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2021
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.2104020118